Information card for entry 1551675

Structure parameters

• Formula: C40 H30 Mo2 N2 O8
• Calculated formula: C40 H30 Mo2 N2 O8
• SMILES: [Mo]1234[O]=C(c5ccccc5)O[Mo]4([O]=C(c4ccccc4)O1)(OC(c1ccccc1)=[O]3)([O]=C(c1ccccc1)O2)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Mo]1234[O]=C(c5ccccc5)O[Mo]4([O]=C(c4ccccc4)O1)(OC(c1ccccc1)=[O]3)([O]=C(c1ccccc1)O2)[n]1ccc(cc1)/C=C/c1ccncc1
• Title of publication: Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Benzoate with 1,2-Bis(4-pyridyl)ethylene Having an N2-Adsorption Property
• Authors of publication: MIKURIYA, Masahiro; KAIHARA, Noriaki; ONO, Takashi; TANAKA, Yusuke; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 41
• a: 8.2328 ± 0.001 Å
• b: 10.5428 ± 0.0013 Å
• c: 12.0915 ± 0.0016 Å
• α: 114.438 ± 0.002°
• β: 90.934 ± 0.002°
• γ: 108.726 ± 0.002°
• Cell volume: 891.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No